N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[4-(4-ethoxyphenyl)-5-methyl-thiazol-2-yl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[4-(4-ethoxyphenyl)-5-methyl-2-thiazolyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-(5-methyl-4-p-phenetyl-thiazol-2-yl)-3-nitro-4-pyrrolidino-benzamide Formula: C23H24N4O4S MolecularWeight: 452.52606

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C(SC(=N2)NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-])C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C(SC(=N2)NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-])C

InChI

InChI=1S/C23H24N4O4S/c1-3-31-18-9-6-16(7-10-18)21-15(2)32-23(24-21)25-22(28)17-8-11-19(20(14-17)27(29)30)26-12-4-5-13-26/h6-11,14H,3-5,12-13H2,1-2H3,(H,24,25,28)